Geometry & MOs

Info

ID:	306219
PubChem CID:	125002885
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	9.16
Dipole, Da:	4.61
IP(EA), eV:	-8.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(O1)C=CC(=C2)CCC(=O)N3CCC(CC3)C4=CN=CC(=N4)NC5=NC=CN=C5

DOS

IR

Vibrations